CID 17753872

Beta-3-serine

Structural Information

Molecular Formula
C4H9NO3
SMILES
C([C@@H](CO)C(=O)O)N
InChI
InChI=1S/C4H9NO3/c5-1-3(2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1
InChIKey
UHLNJPIGFDWGTP-VKHMYHEASA-N
Compound name
(2S)-2-(aminomethyl)-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

54
Patents

119.05824 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.06552 123.8
[M+Na]+ 142.04746 129.9
[M-H]- 118.05096 121.1
[M+NH4]+ 137.09206 144.1
[M+K]+ 158.02140 129.6
[M+H-H2O]+ 102.05550 119.3
[M+HCOO]- 164.05644 144.5
[M+CH3COO]- 178.07209 166.9
[M+Na-2H]- 140.03291 127.3
[M]+ 119.05769 120.9
[M]- 119.05879 120.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe